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2,1-Benzisoxazole, 3,4-dimethyl-
SpectraBase Compound ID KGOZT4wkKRt
InChI InChI=1S/C9H9NO/c1-6-4-3-5-8-9(6)7(2)11-10-8/h3-5H,1-2H3
InChIKey APFAVGLVJNQZSX-UHFFFAOYSA-N
Mol Weight 147.18 g/mol
Molecular Formula C9H9NO
Exact Mass 147.068414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EGjTKAHQgSv
Name 2,1-Benzisoxazole, 3,4-dimethyl-
Alternate Name(s) 3,4-Dimethyl-2,1-benzisoxazole 3,4-Dimethyl-anthranil 3,4-Dimethyl-2,1-benzoxazole
CAS Registry Number 4127-54-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO
InChI InChI=1S/C9H9NO/c1-6-4-3-5-8-9(6)7(2)11-10-8/h3-5H,1-2H3
InChIKey APFAVGLVJNQZSX-UHFFFAOYSA-N
Molecular Weight 147.177 g/mol
SMILES c12c(noc2C)cccc1C
SPLASH splash10-00kg-9800000000-f880cbe8ddeb1da804be
Source of Spectrum B-44-877-5
Wiley ID 1144926